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CAS No.: | 4792-29-4 |
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Name: | 5-Carboxyphthalide |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C9H6 O4 |
Molecular Weight: | 178.144 |
Synonyms: | 5-Phthalancarboxylicacid, 1-oxo- (8CI); 1,4-Benzenedicarboxylic acid, (hydroxymethyl)-, g-lactone; 5-Carboxyphthalide;Phthalide-5-carboxylic acid |
EINECS: | 225-343-5 |
Density: | 1.502 |
Boiling Point: | 481.1 °C at 760 mmHg |
Flash Point: | 206.3 °C |
Appearance: | White to off white odorless powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 22 |
PSA: | 63.60000 |
LogP: | 1.05520 |
Conditions | Yield |
---|---|
With sulfuric acid; paraformaldehyde In water | 82% |
With hydrogenchloride; sodium hydroxide; sulfur trioxide In 1,3,5-Trioxan; water | |
With hydrogenchloride; sodium hydroxide; sulfur trioxide In 1,3,5-Trioxan; water |
Conditions | Yield |
---|---|
With sulfuric acid; sulfur trioxide at 100 - 150℃; for 5 - 6h; | 76.4% |
Conditions | Yield |
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at 27 - 130℃; for 3h; Product distribution / selectivity; Industry scale; Neat (no solvent); | 60% |
1-oxo-1,3-dihydroisobenzofuran-5-carboxamide
5-carboxyphtalide
Conditions | Yield |
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With sodium hydroxide anschliessend Ansaeuern; |
hydroxymethyl-terephthalic acid
5-carboxyphtalide
Conditions | Yield |
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at 110℃; |
2-formyl-4-carboxybenzoic acid
5-carboxyphtalide
Conditions | Yield |
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With sodium hydroxide |
5-carboxyphtalide
Conditions | Yield |
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at 240℃; |
5-amino-3H-isobenzofuran-1-one
5-carboxyphtalide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: copper (II)-sulfate; potassium cyanide / ueber eine wss. Diazoniumsalz-Loesung 2: aqueous sulfuric acid 3: aq. NaOH solution / anschliessend Ansaeuern View Scheme |
1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile
5-carboxyphtalide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aqueous sulfuric acid 2: aq. NaOH solution / anschliessend Ansaeuern View Scheme | |
With sulfuric acid In water Reflux; |
5-carboxyphtalide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: calcium carbonate; water 2: NaOH-solution View Scheme |
IUPAC Name: 1-Oxo-3H-2-benzofuran-5-carboxylic acid
Synonyms of 5-Carboxyphthalide (CAS NO.4792-29-4): Phthalide-5-carboxylic acid ; 1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid ; 1-Oxo-5-phthalancarboxylic acid
CAS NO: 4792-29-4
Molecular Formula: C9H6O4
Molecular Weight: 178.14
Molecular Structure:
EINECS: 225-343-5
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.635
Molar Refractivity: 42.48 cm3
Molar Volume: 118.5 cm3
Surface Tension: 66.3 dyne/cm
Density: 1.502 g/cm3
Flash Point: 206.3 °C
Enthalpy of Vaporization: 78.55 kJ/mol
Boiling Point: 481.1 °C at 760 mmHg
Vapour Pressure: 4.57E-10 mmHg at 25°C
SMILES: O=C(O)c1ccc2C(=O)OCc2c1
InChI: InChI=1/C9H6O4/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H,10,11)
InChIKey: QTWUWCFGWYYRRL-UHFFFAOYAG
Std. InChI: InChI=1S/C9H6O4/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H,10,11)
Std. InChIKey: QTWUWCFGWYYRRL-UHFFFAOYSA-N
Product Categories of 5-Carboxyphthalide (CAS NO.4792-29-4): blocks;Carboxes
Hazard Codes: Xi
Hazard Note: Irritant